MMsINC Database Search


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MMsINC code: MMs00465912

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(C)c1cc2c(cc(cc2)C(=O)NC(C)c2ccccc2)cc1

InChI:

InChI=1/C20H19NO2/c1-14(15-6-4-3-5-7-15)21-20(22)18-9-8-17-13-19(23-2)11-10-16(17)12-18/h3-14H,1-2H3,(H,21,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2985 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -5.55438	SlogP: 4.4349	Reactive groups: 0

Topological Properties
Globularity: 0.0326361	Sterimol/B1: 2.27061	Sterimol/B2: 2.29312	Sterimol/B3: 4.96149
Sterimol/B4: 6.32883	Sterimol/L: 18.6993

Surface and Volume Properties
Accessible surface: 585.522	Positive charged surface: 341.642	Negative charged surface: 230.894	Volume: 308.75
Hydrophobic surface: 521.121	Hydrophilic surface: 64.401

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.