MMsINC Database Search


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MMsINC code: MMs00098317

Type: Neutral
Formula: C₁₅H₁₇NO

SMILES:

Oc1c(cc(Nc2ccc(cc2)C)cc1C)C

InChI:

InChI=1/C15H17NO/c1-10-4-6-13(7-5-10)16-14-8-11(2)15(17)12(3)9-14/h4-9,16-17H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4635 kcal/mol

Physical Properties
Molecular Weight: 227.307 g/mol	logS: -3.43811	SlogP: 4.06106	Reactive groups: 0

Topological Properties
Globularity: 0.0535285	Sterimol/B1: 2.68165	Sterimol/B2: 3.51779	Sterimol/B3: 4.01264
Sterimol/B4: 4.74047	Sterimol/L: 14.0765

Surface and Volume Properties
Accessible surface: 473.629	Positive charged surface: 304.391	Negative charged surface: 169.237	Volume: 242.5
Hydrophobic surface: 418.743	Hydrophilic surface: 54.886

Pharmacophoric Properties
Hydrogen bond donors: 2	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.