MMsINC Database Search


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MMsINC code: MMs01170265

Type: Neutral
Formula: C₂₄H₃₆N₄O₂

SMILES:

O=C(N(Cc1ccccc1)Cc1n(ccc1)C)CN(CCCC)C(=O)NCCCC

InChI:

InChI=1/C24H36N4O2/c1-4-6-15-25-24(30)27(17-7-5-2)20-23(29)28(18-21-12-9-8-10-13-21)19-22-14-11-16-26(22)3/h8-14,16H,4-7,15,17-20H2,1-3H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2577 kcal/mol

Physical Properties
Molecular Weight: 412.578 g/mol	logS: -3.67927	SlogP: 5.0577	Reactive groups: 0

Topological Properties
Globularity: 0.178589	Sterimol/B1: 2.78783	Sterimol/B2: 6.0055	Sterimol/B3: 7.24683
Sterimol/B4: 7.39245	Sterimol/L: 17.9028

Surface and Volume Properties
Accessible surface: 764.058	Positive charged surface: 534.201	Negative charged surface: 229.856	Volume: 442
Hydrophobic surface: 642.112	Hydrophilic surface: 121.946

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.