MMsINC Database Search


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MMsINC code: MMs01145763

Type: Neutral
Formula: C₂₄H₃₆N₄O₃

SMILES:

O(CCN(Cc1n(ccc1)C)C(=O)CN(C(C)C)C(=O)Nc1ccc(cc1)C(C)C)C

InChI:

InChI=1/C24H36N4O3/c1-18(2)20-9-11-21(12-10-20)25-24(30)28(19(3)4)17-23(29)27(14-15-31-6)16-22-8-7-13-26(22)5/h7-13,18-19H,14-17H2,1-6H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.486 kcal/mol

Physical Properties
Molecular Weight: 428.577 g/mol	logS: -3.94825	SlogP: 4.6916	Reactive groups: 0

Topological Properties
Globularity: 0.0912454	Sterimol/B1: 2.4978	Sterimol/B2: 6.33665	Sterimol/B3: 6.53517
Sterimol/B4: 6.58215	Sterimol/L: 19.0909

Surface and Volume Properties
Accessible surface: 753.759	Positive charged surface: 543.797	Negative charged surface: 209.962	Volume: 445.5
Hydrophobic surface: 612.1	Hydrophilic surface: 141.659

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.