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MMsINC code: MMs02301886

Type: Neutral
Formula: C₁₄H₁₅NO₂

SMILES:

Oc1ccc(cc1)C(N)Cc1ccc(O)cc1

InChI:

InChI=1/C14H15NO2/c15-14(11-3-7-13(17)8-4-11)9-10-1-5-12(16)6-2-10/h1-8,14,16-17H,9,15H2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9925 kcal/mol

Physical Properties
Molecular Weight: 229.279 g/mol	logS: -2.15527	SlogP: 2.43577	Reactive groups: 0

Topological Properties
Globularity: 0.0462159	Sterimol/B1: 2.43731	Sterimol/B2: 2.43798	Sterimol/B3: 3.86796
Sterimol/B4: 4.88366	Sterimol/L: 15.4651

Surface and Volume Properties
Accessible surface: 461.55	Positive charged surface: 282.764	Negative charged surface: 178.786	Volume: 229.5
Hydrophobic surface: 315.771	Hydrophilic surface: 145.779

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02301887
NCID-ZINC01665754