MMsINC Database Search


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MMsINC code: MMs01985059

Type: Neutral
Formula: C₂₅H₂₁NO₂

SMILES:

O(C)c1c2c(cccc2)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C25H21NO2/c1-28-23-17-16-22(20-14-8-9-15-21(20)23)26-25(27)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,24H,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.571 kcal/mol

Physical Properties
Molecular Weight: 367.448 g/mol	logS: -6.98706	SlogP: 5.619	Reactive groups: 0

Topological Properties
Globularity: 0.0863188	Sterimol/B1: 2.34767	Sterimol/B2: 3.70317	Sterimol/B3: 4.13854
Sterimol/B4: 8.95896	Sterimol/L: 15.3229

Surface and Volume Properties
Accessible surface: 634.744	Positive charged surface: 384.449	Negative charged surface: 240.116	Volume: 370
Hydrophobic surface: 607.759	Hydrophilic surface: 26.985

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: 1

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Ions/Tautomers related molecules: no related molecules available.