MMsINC Database Search


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MMsINC code: MMs01185931

Type: Neutral
Formula: C₂₀H₃₀N₄O₂

SMILES:

O(CCN(Cc1nccn1Cc1cc(ccc1C)C)C(=O)NCCC)C

InChI:

InChI=1/C20H30N4O2/c1-5-8-22-20(25)24(11-12-26-4)15-19-21-9-10-23(19)14-18-13-16(2)6-7-17(18)3/h6-7,9-10,13H,5,8,11-12,14-15H2,1-4H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0299 kcal/mol

Physical Properties
Molecular Weight: 358.486 g/mol	logS: -2.98365	SlogP: 3.64904	Reactive groups: 0

Topological Properties
Globularity: 0.0860377	Sterimol/B1: 3.63996	Sterimol/B2: 4.30172	Sterimol/B3: 5.69617
Sterimol/B4: 6.27032	Sterimol/L: 17.7615

Surface and Volume Properties
Accessible surface: 651.627	Positive charged surface: 486.278	Negative charged surface: 165.35	Volume: 375
Hydrophobic surface: 561.977	Hydrophilic surface: 89.65

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.