MMsINC Database Search


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MMsINC code: MMs02878697

Type: Neutral
Formula: C₂₀H₂₅NO

SMILES:

O=C(N(Cc1ccccc1)CCc1ccccc1)C(C)(C)C

InChI:

InChI=1/C20H25NO/c1-20(2,3)19(22)21(16-18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.961 kcal/mol

Physical Properties
Molecular Weight: 295.426 g/mol	logS: -3.86706	SlogP: 4.57037	Reactive groups: 0

Topological Properties
Globularity: 0.133479	Sterimol/B1: 2.10107	Sterimol/B2: 3.71604	Sterimol/B3: 3.75121
Sterimol/B4: 9.48121	Sterimol/L: 14.4868

Surface and Volume Properties
Accessible surface: 557.701	Positive charged surface: 331.233	Negative charged surface: 226.467	Volume: 317.875
Hydrophobic surface: 493.356	Hydrophilic surface: 64.345

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.